#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy n LYS 3 N 0.00 -3.05 -2.06 0.54 4.81 -1.26 -4.87 118.16 112.27 3kiy n LYS 3 Ca 0.00 2.51 -0.38 0.00 -0.87 0.00 0.00 58.31 59.56 3kiy n LYS 3 Cb 0.00 -4.48 0.00 0.00 0.02 0.00 0.00 35.03 30.57 3kiy n LYS 3 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kiy s MET 4 N -1.36 3.72 0.31 1.64 0.00 -1.26 -5.01 119.30 117.34 3kiy s MET 4 Ca -0.04 2.06 -0.18 0.00 0.00 0.00 0.00 55.69 57.53 3kiy s MET 4 Cb 0.00 -2.54 -0.09 0.00 0.00 0.00 0.00 34.83 32.20 3kiy s MET 4 CO 0.63 -0.66 0.78 0.15 0.00 0.00 0.00 175.02 175.92 3kiy s LYS 5 N -2.52 4.16 0.21 3.16 1.02 -1.26 -4.86 119.74 119.65 3kiy s LYS 5 Ca 0.62 0.85 -0.30 0.00 0.02 0.00 0.00 55.97 57.17 3kiy s LYS 5 Cb -0.36 -2.56 -0.08 0.00 -0.52 0.00 0.00 37.83 34.31 3kiy s LYS 5 CO 0.44 0.21 1.02 0.95 -0.92 0.00 0.00 175.35 177.05 3kiy s THR 6 N -1.84 3.96 -0.84 2.17 -4.23 -1.26 -4.92 115.64 108.67 3kiy s THR 6 Ca 0.52 1.85 -0.25 0.00 -1.18 0.00 0.00 61.69 62.62 3kiy s THR 6 Cb -0.13 -4.18 -0.03 0.00 1.34 0.00 0.00 72.50 69.51 3kiy s THR 6 CO 0.18 0.39 1.83 -2.28 -0.54 0.00 0.00 174.62 174.20 3kiy s HIS 7 N -0.78 1.89 0.21 3.99 2.46 -0.96 -4.85 115.29 117.25 3kiy s HIS 7 Ca 0.45 0.45 -0.14 0.00 0.47 0.00 0.00 55.06 56.28 3kiy s HIS 7 Cb -0.28 -4.17 0.22 0.00 -0.13 0.00 0.00 32.58 28.22 3kiy s HIS 7 CO 0.34 -1.92 1.63 0.87 -2.47 0.00 0.00 174.74 173.20 3kiy h LYS 8 N 11.88 -0.01 -0.06 2.88 6.56 -1.91 -0.36 116.57 135.56 3kiy h LYS 8 Ca 0.01 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.62 3kiy h LYS 8 Cb 1.04 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.70 3kiy h LYS 8 CO 1.24 -0.01 0.20 0.78 -2.06 0.00 0.00 179.45 179.61 3kiy h GLY 9 N -0.01 0.00 0.45 3.86 0.00 -1.97 -0.03 103.07 105.37 3kiy h GLY 9 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.32 3kiy h GLY 9 CO -0.63 0.00 -1.57 0.00 0.00 0.00 0.00 176.54 174.34 3kiy h ALA 10 N 1.65 0.28 -0.65 3.60 0.00 -1.48 -3.34 119.26 119.32 3kiy h ALA 10 Ca 0.03 -1.21 0.10 0.00 0.00 0.00 0.00 54.91 53.82 3kiy h ALA 10 Cb 0.43 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 3kiy h ALA 10 CO -0.00 0.96 0.27 -0.22 0.00 0.00 0.00 179.25 180.25 3kiy h LYS 11 N -0.34 0.44 0.00 0.00 3.64 -0.91 0.24 116.57 119.65 3kiy h LYS 11 Ca -0.35 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3kiy h LYS 11 Cb 1.75 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 3kiy h LYS 11 CO 0.01 0.29 0.00 1.63 -2.27 0.00 0.00 179.45 179.11 3kiy n LYS 12 N -4.97 0.20 0.00 1.90 5.02 -0.10 -3.09 118.16 117.12 3kiy n LYS 12 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3kiy n LYS 12 Cb 0.29 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 3kiy n LYS 12 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3kiy n ARG 13 N -0.85 0.00 -3.77 1.97 1.85 0.72 -5.06 116.66 111.52 3kiy n ARG 13 Ca 0.03 -0.13 -0.13 0.00 -1.00 0.00 0.00 57.85 56.62 3kiy n ARG 13 Cb 0.02 -0.33 -0.09 0.00 -1.05 0.00 0.00 32.46 31.00 3kiy n ARG 13 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3kiy s VAL 14 N 0.00 0.05 -0.01 8.89 0.11 -0.40 -4.67 120.40 124.37 3kiy s VAL 14 Ca 0.00 -0.43 0.07 0.00 -2.93 0.00 0.00 61.98 58.69 3kiy s VAL 14 Cb 0.00 -0.58 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 3kiy s VAL 14 CO 0.00 -0.24 -0.21 -0.75 -3.33 0.00 0.00 175.10 170.57 3kiy s LYS 15 N -1.14 1.69 -0.18 1.54 2.20 -0.96 -4.66 119.74 118.23 3kiy s LYS 15 Ca -0.12 -0.76 -0.08 0.00 -0.36 0.00 0.00 55.97 54.65 3kiy s LYS 15 Cb -0.05 -1.64 -0.04 0.00 -1.51 0.00 0.00 37.83 34.58 3kiy s LYS 15 CO 0.04 0.45 0.08 -1.50 -0.36 0.00 0.00 175.35 174.05 3kiy s ILE 16 N -0.51 4.95 0.90 5.43 2.07 -1.26 -1.06 121.20 131.72 3kiy s ILE 16 Ca 0.08 0.02 -0.13 0.00 -1.41 0.00 0.00 60.65 59.21 3kiy s ILE 16 Cb -0.08 -3.23 0.17 0.00 0.13 0.00 0.00 42.46 39.45 3kiy s ILE 16 CO -0.01 0.47 1.25 0.42 -1.91 0.00 0.00 174.94 175.17 3kiy s THR 17 N 0.21 2.03 0.14 4.00 -4.23 -0.03 -4.84 115.64 112.92 3kiy s THR 17 Ca 0.05 -0.10 -0.17 0.00 -1.18 0.00 0.00 61.69 60.29 3kiy s THR 17 Cb -0.12 -2.94 -0.02 0.00 1.34 0.00 0.00 72.50 70.77 3kiy s THR 17 CO -0.00 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 175.88 3kiy h ALA 18 N -1.38 0.42 0.00 3.99 0.00 -1.99 0.82 119.26 121.11 3kiy h ALA 18 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3kiy h ALA 18 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kiy h ALA 18 CO 0.42 -0.12 0.00 0.43 0.00 0.00 0.00 179.25 179.98 3kiy n SER 19 N -4.86 0.00 -1.42 0.00 7.64 -1.26 -4.82 113.62 108.90 3kiy n SER 19 Ca -0.01 0.36 -0.00 0.00 1.01 0.00 0.00 58.87 60.23 3kiy n SER 19 Cb 0.02 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 3kiy n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kiy n GLY 20 N -0.57 0.83 3.22 0.23 0.00 0.28 -5.08 105.19 104.10 3kiy n GLY 20 Ca 0.03 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 3kiy n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kiy s LYS 21 N -3.17 2.09 -0.41 1.61 1.02 -1.24 -4.86 119.74 114.78 3kiy s LYS 21 Ca 0.00 -0.78 -0.24 0.00 0.02 0.00 0.00 55.97 54.97 3kiy s LYS 21 Cb -0.00 -1.84 0.02 0.00 -0.52 0.00 0.00 37.83 35.49 3kiy s LYS 21 CO 0.00 0.36 0.85 0.08 -0.92 0.00 0.00 175.35 175.73 3kiy s VAL 22 N -0.19 4.62 -0.08 3.17 1.01 -1.26 -0.85 120.40 126.80 3kiy s VAL 22 Ca -0.00 0.84 0.02 0.00 0.00 0.00 0.00 61.98 62.84 3kiy s VAL 22 Cb -0.12 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 3kiy s VAL 22 CO 0.02 -0.61 -0.15 -0.69 0.00 0.00 0.00 175.10 173.67 3kiy s VAL 23 N 3.39 2.97 0.13 2.92 1.01 -0.23 -4.45 120.40 126.14 3kiy s VAL 23 Ca 0.34 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.35 3kiy s VAL 23 Cb -0.12 -2.19 0.07 0.00 0.00 0.00 0.00 36.38 34.14 3kiy s VAL 23 CO 0.21 0.56 0.61 0.00 0.00 0.00 0.00 175.10 176.48 3kiy s ALA 24 N -0.22 -1.62 -0.37 5.51 0.00 -0.91 -2.27 121.76 121.88 3kiy s ALA 24 Ca 0.01 0.59 -0.42 0.00 0.00 0.00 0.00 51.96 52.14 3kiy s ALA 24 Cb -0.13 0.78 -0.17 0.00 0.00 0.00 0.00 23.12 23.60 3kiy s ALA 24 CO 0.03 -0.72 1.80 -1.33 0.00 0.00 0.00 175.76 175.53 3kiy n MET 25 N -0.23 0.74 -1.61 0.00 2.81 -1.26 -1.51 117.12 116.06 3kiy n MET 25 Ca -0.17 0.26 -0.49 0.00 -1.81 0.00 0.00 57.70 55.49 3kiy n MET 25 Cb 0.64 -1.93 -0.04 0.00 -0.71 0.00 0.00 33.22 31.18 3kiy n MET 25 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3kiy n LYS 26 N 5.55 1.42 -2.93 0.03 4.76 -1.23 -4.92 118.16 120.84 3kiy n LYS 26 Ca 0.32 0.51 -0.27 0.00 -2.87 0.00 0.00 58.31 56.00 3kiy n LYS 26 Cb 0.07 -2.10 -0.01 0.00 -1.84 0.00 0.00 35.03 31.15 3kiy n LYS 26 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3kiy s THR 27 N 0.14 4.97 0.00 -0.18 -4.23 -1.26 -4.80 115.64 110.28 3kiy s THR 27 Ca 0.76 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.30 3kiy s THR 27 Cb -0.83 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.17 3kiy s THR 27 CO 0.49 -0.69 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 3kiy n GLY 28 N -1.93 0.69 2.18 3.99 0.00 -1.26 -5.06 105.19 103.80 3kiy n GLY 28 Ca -0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 3kiy n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kiy n LYS 29 N -0.07 0.47 -0.00 1.61 2.85 -1.26 -4.86 118.16 116.90 3kiy n LYS 29 Ca 0.00 -0.62 0.06 0.00 -1.05 0.00 0.00 58.31 56.70 3kiy n LYS 29 Cb 0.03 0.09 -0.08 0.00 -0.65 0.00 0.00 35.03 34.42 3kiy n LYS 29 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3kiy n ARG 30 N -0.55 2.52 -0.01 -1.58 0.00 -1.26 -4.79 116.66 110.99 3kiy n ARG 30 Ca -0.12 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 3kiy n ARG 30 Cb 0.66 -1.13 0.00 0.00 0.00 0.00 0.00 32.46 31.98 3kiy n ARG 30 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 3kiy n HIS 31 N -1.35 0.00 -0.01 -0.14 1.44 -1.26 -4.97 115.22 108.93 3kiy n HIS 31 Ca 0.02 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.60 3kiy n HIS 31 Cb 0.21 0.09 -0.10 0.00 0.12 0.00 0.00 29.99 30.31 3kiy n HIS 31 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3kiy h LEU 32 N 0.00 -0.04 -4.34 2.39 -0.00 -1.89 -3.46 115.31 107.97 3kiy h LEU 32 Ca 0.00 -0.55 -0.29 0.00 -0.00 0.00 0.00 57.88 57.04 3kiy h LEU 32 Cb 0.26 0.01 0.08 0.00 -0.00 0.00 0.00 40.66 41.01 3kiy h LEU 32 CO 0.00 0.55 -0.51 0.59 -0.00 0.00 0.00 178.44 179.07 3kiy n ASN 33 N -4.83 -1.59 0.00 -0.43 5.03 -1.26 -4.55 115.26 107.63 3kiy n ASN 33 Ca -0.09 0.35 0.00 0.00 0.87 0.00 0.00 54.58 55.71 3kiy n ASN 33 Cb 0.30 -0.42 0.00 0.00 -1.02 0.00 0.00 39.78 38.64 3kiy n ASN 33 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 3kiy n TRP 34 N -0.62 0.00 -2.90 3.10 -0.00 -1.26 -4.95 117.44 110.81 3kiy n TRP 34 Ca 0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.45 3kiy n TRP 34 Cb 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.51 3kiy n TRP 34 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 3kiy n GLN 35 N 0.00 0.50 -4.61 5.87 7.27 -1.26 -5.11 117.38 120.03 3kiy n GLN 35 Ca 0.00 -2.28 -0.22 0.00 0.07 0.00 0.00 57.00 54.57 3kiy n GLN 35 Cb 0.00 -1.50 -0.15 0.00 2.41 0.00 0.00 30.24 30.99 3kiy n GLN 35 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3kiy s LYS 36 N 0.62 1.19 0.19 3.69 1.02 -1.26 -5.09 119.74 120.10 3kiy s LYS 36 Ca 0.31 -0.47 -0.32 0.00 0.02 0.00 0.00 55.97 55.51 3kiy s LYS 36 Cb 0.04 -1.12 -0.15 0.00 -0.52 0.00 0.00 37.83 36.08 3kiy s LYS 36 CO -0.10 0.25 1.19 -1.13 -0.92 0.00 0.00 175.35 174.63 3kiy n SER 37 N 2.93 1.55 -0.32 2.83 3.41 -1.26 -4.70 113.62 118.06 3kiy n SER 37 Ca -0.16 1.15 0.27 0.00 -0.26 0.00 0.00 58.87 59.87 3kiy n SER 37 Cb 0.55 -1.26 0.60 0.00 -0.26 0.00 0.00 64.21 63.84 3kiy n SER 37 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kiy h GLY 38 N 3.36 0.78 0.08 5.00 0.00 -1.99 0.99 103.07 111.30 3kiy h GLY 38 Ca -0.43 -0.13 0.14 0.00 0.00 0.00 0.00 47.33 46.91 3kiy h GLY 38 CO 0.70 -0.10 0.18 1.70 0.00 0.00 0.00 176.54 179.03 3kiy h LYS 39 N 0.24 0.30 0.00 4.80 3.64 -1.98 0.78 116.57 124.34 3kiy h LYS 39 Ca 0.58 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.95 3kiy h LYS 39 Cb 1.79 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.55 3kiy h LYS 39 CO -0.20 0.20 0.00 0.39 -2.27 0.00 0.00 179.45 177.57 3kiy n GLU 40 N -5.11 0.00 -0.61 1.90 1.02 0.34 -0.89 120.64 117.29 3kiy n GLU 40 Ca 0.12 0.20 0.48 0.00 -0.02 0.00 0.00 57.16 57.94 3kiy n GLU 40 Cb 0.39 -1.09 0.78 0.00 -0.02 0.00 0.00 31.44 31.50 3kiy n GLU 40 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3kiy h ILE 41 N 0.00 0.05 0.58 -3.67 2.04 -1.36 0.58 117.51 115.73 3kiy h ILE 41 Ca 0.00 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 3kiy h ILE 41 Cb 0.00 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.12 3kiy h ILE 41 CO 0.00 0.00 -0.28 -0.09 0.00 0.00 0.00 178.15 177.78 3kiy h ARG 42 N 0.01 -0.75 -1.99 2.37 2.43 0.66 -3.31 114.38 113.80 3kiy h ARG 42 Ca 0.89 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 60.11 3kiy h ARG 42 Cb 3.36 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 33.08 3kiy h ARG 42 CO -0.14 -0.50 0.00 1.04 -1.51 0.00 0.00 179.97 178.86 3kiy n GLN 43 N -5.09 0.00 -3.73 0.20 6.02 0.20 -4.51 117.38 110.47 3kiy n GLN 43 Ca -0.10 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.60 3kiy n GLN 43 Cb 0.31 -1.40 -0.10 0.00 1.02 0.00 0.00 30.24 30.07 3kiy n GLN 43 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3kiy n LYS 44 N 1.84 2.18 -4.45 -1.09 4.01 -1.25 -4.99 118.16 114.42 3kiy n LYS 44 Ca 0.00 -4.55 -0.22 0.00 -0.51 0.00 0.00 58.31 53.04 3kiy n LYS 44 Cb 0.00 -2.30 -0.11 0.00 -0.51 0.00 0.00 35.03 32.11 3kiy n LYS 44 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3kiy s GLY 45 N -1.60 1.99 1.01 0.72 0.00 -1.26 -4.83 107.32 103.36 3kiy s GLY 45 Ca 0.29 -2.01 -0.20 0.00 0.00 0.00 0.00 44.72 42.80 3kiy s GLY 45 CO -0.12 -1.84 -0.77 0.54 0.00 0.00 0.00 173.10 170.92 3kiy n ARG 46 N -0.66 -0.23 -1.81 2.90 1.74 -1.26 -3.53 116.66 113.81 3kiy n ARG 46 Ca -0.04 -0.06 -0.02 0.00 -0.77 0.00 0.00 57.85 56.96 3kiy n ARG 46 Cb 0.65 -1.21 -0.00 0.00 -1.02 0.00 0.00 32.46 30.88 3kiy n ARG 46 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3kiy n LYS 47 N 1.35 0.15 0.00 5.56 -0.00 -0.57 -4.76 118.16 119.89 3kiy n LYS 47 Ca -0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 58.31 57.86 3kiy n LYS 47 Cb 0.62 0.47 0.00 0.00 -0.00 0.00 0.00 35.03 36.12 3kiy n LYS 47 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3kiy n PHE 48 N -0.10 0.00 0.00 5.58 0.99 -1.26 -2.14 117.46 120.53 3kiy n PHE 48 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3kiy n PHE 48 Cb 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.58 3kiy n PHE 48 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 3kiy n VAL 49 N 0.00 0.00 -4.21 -4.37 0.24 -1.26 -4.55 118.33 104.18 3kiy n VAL 49 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 3kiy n VAL 49 Cb 0.00 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.27 3kiy n VAL 49 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3kiy s LEU 50 N 0.00 2.49 0.00 1.34 2.96 -1.26 -4.52 118.68 119.69 3kiy s LEU 50 Ca 0.00 -0.96 0.00 0.00 -0.22 0.00 0.00 54.13 52.95 3kiy s LEU 50 Cb 0.00 -0.28 0.00 0.00 0.50 0.00 0.00 46.19 46.41 3kiy s LEU 50 CO 0.00 -0.34 0.00 0.00 -1.32 0.00 0.00 176.35 174.69 3kiy n ALA 51 N 0.04 0.00 0.90 5.97 0.00 -1.26 -4.37 120.51 121.79 3kiy n ALA 51 Ca -0.12 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.41 3kiy n ALA 51 Cb 0.60 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.51 3kiy n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kiy n LYS 52 N 0.00 0.32 -0.11 0.00 4.01 -1.26 -2.90 118.16 118.22 3kiy n LYS 52 Ca 0.00 0.10 -0.14 0.00 -0.51 0.00 0.00 58.31 57.76 3kiy n LYS 52 Cb 0.00 -1.50 -0.12 0.00 -0.51 0.00 0.00 35.03 32.90 3kiy n LYS 52 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 3kiy n PRO 53 N -1.23 0.73 -0.01 1.97 -0.04 -1.26 -4.03 135.00 131.13 3kiy n PRO 53 Ca 0.09 0.08 0.23 0.00 -0.04 0.00 0.00 63.50 63.87 3kiy n PRO 53 Cb 0.13 -1.47 0.70 0.00 -0.04 0.00 0.00 33.50 32.81 3kiy n PRO 53 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3kiy h GLU 54 N 0.00 0.00 -0.01 0.54 5.08 -1.87 0.84 114.58 119.15 3kiy h GLU 54 Ca -0.51 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.64 3kiy h GLU 54 Cb 1.92 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.17 3kiy h GLU 54 CO -0.04 0.00 -0.87 0.00 -1.00 0.00 0.00 179.01 177.09 3kiy h ALA 55 N 1.35 0.48 0.33 3.43 0.00 -1.69 -3.23 119.26 119.92 3kiy h ALA 55 Ca 0.29 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3kiy h ALA 55 Cb 1.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3kiy h ALA 55 CO -0.00 0.85 -0.16 0.93 0.00 0.00 0.00 179.25 180.87 3kiy h GLU 56 N 0.18 -0.42 -0.68 0.00 3.07 0.53 -3.14 114.58 114.13 3kiy h GLU 56 Ca -0.05 0.03 0.20 0.00 -0.50 0.00 0.00 59.36 59.03 3kiy h GLU 56 Cb 1.49 0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 29.47 3kiy h GLU 56 CO 0.14 -0.28 0.94 0.54 -1.40 0.00 0.00 179.01 178.95 3kiy n ARG 57 N -4.68 0.01 0.07 2.33 1.74 -0.74 0.51 116.66 115.91 3kiy n ARG 57 Ca -0.05 0.80 -0.08 0.00 -0.77 0.00 0.00 57.85 57.74 3kiy n ARG 57 Cb 0.17 -2.02 -0.11 0.00 -1.02 0.00 0.00 32.46 29.48 3kiy n ARG 57 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3kiy h ILE 58 N 0.00 1.66 -0.02 0.55 1.08 -1.56 -3.30 117.51 115.92 3kiy h ILE 58 Ca 0.32 -3.29 0.00 0.00 -0.39 0.00 0.00 64.86 61.50 3kiy h ILE 58 Cb 2.20 2.83 0.00 0.00 -3.07 0.00 0.00 36.82 38.78 3kiy h ILE 58 CO -0.00 0.94 -0.17 0.29 -0.69 0.00 0.00 178.15 178.52 3kiy n LYS 59 N -3.41 1.87 -2.25 2.37 5.02 1.93 -3.80 118.16 119.90 3kiy n LYS 59 Ca -0.02 -1.53 -0.28 0.00 -2.02 0.00 0.00 58.31 54.47 3kiy n LYS 59 Cb 0.94 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 34.49 3kiy n LYS 59 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kiy n LEU 60 N 0.77 5.22 0.00 -0.35 4.77 -0.62 -2.25 117.00 124.54 3kiy n LEU 60 Ca 0.13 -5.02 -0.00 0.00 -0.03 0.00 0.00 56.01 51.08 3kiy n LEU 60 Cb 0.54 -0.52 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3kiy n LEU 60 CO 0.20 2.12 0.50 0.17 -1.33 0.00 0.00 177.39 179.05 3kiy h LEU 61 N 2.50 -0.01 -1.28 2.23 8.10 -1.66 -3.20 115.31 121.99 3kiy h LEU 61 Ca 0.36 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 58.29 3kiy h LEU 61 Cb 0.97 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.18 3kiy h LEU 61 CO 0.93 -0.01 -0.32 -0.07 -4.11 0.00 0.00 178.44 174.87 3kiy h LEU 62 N -0.01 0.00 0.00 0.17 3.38 -1.89 -2.41 115.31 114.56 3kiy h LEU 62 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kiy h LEU 62 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kiy h LEU 62 CO 0.00 0.32 0.00 -0.81 0.09 0.00 0.00 178.44 178.04 3kiy n PRO 63 N -3.76 0.85 0.00 1.13 -0.04 -1.24 -5.16 135.00 126.78 3kiy n PRO 63 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 3kiy n PRO 63 Cb 0.41 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 3kiy n PRO 63 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12